Match comparison for B3LYP Fock Correlation (match type 12227)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.734403300000000e-01 | 3.280000000000000e-06 | -2.734433042307692e-01 | 4.940474066116910e-09 | -2.734433050000000e-01 | 4.999999997368221e-09 | PASS |
Checks for this match
- MPI builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.27344033, precision: 0.00000328| Run | Value | Difference | Relative difference | Status |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.734433000000000e-01 | -2.969999999991035e-06 | -9.054878048753157e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.734433100000000e-01 | -2.979999999985772e-06 | -9.085365853615158e-01 | PASS |